1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dimethylpiperazine;hydrochloride

C11H21ClN4O2S — CID 120725679

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dimethylpiperazine;hydrochloride
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCNC(C)C1C.Cl
InChIInChI=1S/C11H20N4O2S.ClH/c1-7-10(4)15(6-5-12-7)18(16,17)11-8(2)13-14-9(11)3;/h7,10,12H,5-6H2,1-4H3,(H,13,14);1H
InChIKeyVYVBIDQVDNURET-UHFFFAOYSA-N
MW308.84 g/mol
LogP0.82
Rot. Bonds2

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dimethylpiperazine;hydrochloride

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dimethylpiperazine;hydrochloride (PubChem CID 120725679) has the molecular formula C11H21ClN4O2S and a molecular weight of 308.84 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dimethylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dimethylpiperazine;hydrochloride
PubChem CID120725679
Molecular FormulaC11H21ClN4O2S
Molecular Weight308.84 g/mol
Exact Mass308.11
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dimethylpiperazine;hydrochloride
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCNC(C)C1C.Cl
InChIInChI=1S/C11H20N4O2S.ClH/c1-7-10(4)15(6-5-12-7)18(16,17)11-8(2)13-14-9(11)3;/h7,10,12H,5-6H2,1-4H3,(H,13,14);1H
InChIKeyVYVBIDQVDNURET-UHFFFAOYSA-N
XLogP0.82
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.84
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylpiperazine;hydrochloride
CID 120716901
2,3-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine;hydrochloride
CID 120725684
(2R,3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylpiperidine-3-carboxylic acid
CID 122105053
2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride
CID 120725705
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-pyrrolidin-2-ylpiperidine
CID 63256596
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119998506
4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]piperidine
CID 60979617
3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
CID 4736860
2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine
CID 120725706
1-(2,6-dimethyl-4-nitrophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
CID 120725892
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-3-ol
CID 103914983
3-chloro-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine
CID 102962583

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dimethylpiperazine;hydrochloride?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dimethylpiperazine;hydrochloride (CID 120725679) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dimethylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dimethylpiperazine;hydrochloride?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dimethylpiperazine;hydrochloride is Cc1n[nH]c(C)c1S(=O)(=O)N1CCNC(C)C1C.Cl.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dimethylpiperazine;hydrochloride?
The InChIKey is VYVBIDQVDNURET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S.ClH/c1-7-10(4)15(6-5-12-7)18(16,17)11-8(2)13-14-9(11)3;/h7,10,12H,5-6H2,1-4H3,(H,13,14);1H.
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dimethylpiperazine;hydrochloride?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dimethylpiperazine;hydrochloride has a molecular weight of 308.84 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dimethylpiperazine;hydrochloride is sourced from PubChem (CID 120725679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).